Information card for entry 7251103

Structure parameters

• Formula: C15 H12 Ag Br3 N4 O3
• Calculated formula: C15 H12 Ag Br3 N4 O3
• Title of publication: Substituent effects on the structure of [Ag(py-R)n](NO3) ionic pairs: structural and computational studies
• Authors of publication: Radiush, Ekaterina A.; Sinelnikov, Gleb O.; Sukhikh, Taisiya Sergeevna; Shurikov, Matvey K.; Shamshurin, Maxim; Semenov, Nikolay A.; Postnikov, Pavel S.; Sokolov, Maksim Nailyevich; Abramov, Pavel A.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• a: 7.4692 ± 0.0005 Å
• b: 9.0221 ± 0.0007 Å
• c: 15.0268 ± 0.001 Å
• α: 80.89 ± 0.006°
• β: 81.659 ± 0.006°
• γ: 82.125 ± 0.006°
• Cell volume: 982.51 ± 0.12 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1277
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No